(E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one

C12H22N2O — CID 169127737

IUPAC(E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one
SMILESCC/C=C/C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-4-5-6-12(15)14-9-7-13(8-10-14)11(2)3/h5-6,11H,4,7-10H2,1-3H3/b6-5+
InChIKeyRTHTUFUPBNPEAR-AATRIKPKSA-N
MW210.32 g/mol
LogP1.51
Rot. Bonds3

About (E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one

(E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one (PubChem CID 169127737) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one
PubChem CID169127737
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one
SMILESCC/C=C/C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-4-5-6-12(15)14-9-7-13(8-10-14)11(2)3/h5-6,11H,4,7-10H2,1-3H3/b6-5+
InChIKeyRTHTUFUPBNPEAR-AATRIKPKSA-N
XLogP1.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one?
The IUPAC name of (E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one (CID 169127737) is (E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one.
What is the SMILES notation for (E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one?
The canonical SMILES for (E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one is CC/C=C/C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of (E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one?
The InChIKey is RTHTUFUPBNPEAR-AATRIKPKSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-6-12(15)14-9-7-13(8-10-14)11(2)3/h5-6,11H,4,7-10H2,1-3H3/b6-5+.
What are the key properties of (E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one?
(E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-one is sourced from PubChem (CID 169127737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).